Comparison of the degree of collectivity of motions amongst proteins in a dataset

Issue #867 new
Former user created an issue

In connection to the above, I'd be grateful for any guidance/suggestions regarding the following:

  1. Is cross-correlation or GeoStaS analysis appropriate to compare the degree of domain motions? If yes, will the slowest 10 modes suffice for the analysis? From this type of analysis is there a way of identifying those proteins in the dataset with the highest collectivity of motions?
  2. Is deformation analysis suitable for the purpose? If yes, is deformation analysis using the first non-trivial mode adequate for the purpose? Hollup, S.M., G. Salensminde, and N. Reuter, WEBnm@: a web application for normal mode analyses of proteins. BMC Bioinformatics, 2005. 6: p. 52.
  3. Any other appropriate methods?

Thank you in advance and best wishes for 2022

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